⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Methanesulfonic Acid Nonyl Ester SCHEMBL15469147 | 0.80 | CA1 (0.43) | — | |
| Busulfan SCHEMBL31599367 | 0.80 | USP2 (0.46) | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL30543001 | 0.77 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL29544643 | 0.72 | — | — | |
| SCHEMBL3879675 | 0.72 | — | — | |
| SCHEMBL502063 | 0.71 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL5533648 | 0.69 | CA1 (0.53) | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL2296 | 0.69 | — | — | |
| SCHEMBL4669189 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4784695 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372670-B | Therapeutically active compounds and methods of use thereof | 法国施维雅药厂 | 2023-04-07 | — | — | CN | disclosed |